CID 6447962

108051-28-1

Structural Information

Molecular Formula
C18H16O6
SMILES
CC(=O)C1=CC(=C(C=C1O)O)C(=O)/C=C/C2=CC(=C(C=C2)O)OC
InChI
InChI=1S/C18H16O6/c1-10(19)12-8-13(17(23)9-16(12)22)14(20)5-3-11-4-6-15(21)18(7-11)24-2/h3-9,21-23H,1-2H3/b5-3+
InChIKey
BVQNOEWBRFGOAV-HWKANZROSA-N
Compound name
(E)-1-(5-acetyl-2,4-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.0947 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.10198 175.0
[M+Na]+ 351.08392 186.9
[M+NH4]+ 346.12852 179.3
[M+K]+ 367.05786 182.8
[M-H]- 327.08742 175.5
[M+Na-2H]- 349.06937 179.0
[M]+ 328.09415 176.5
[M]- 328.09525 176.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.